[email protected]
CAS 1159976-89-2 BIS-(6-BROMO-PYRIDIN-3-YL)-METHANONE molecular structure lightbox
CAS RN: 1159976-89-2

BIS-(6-BROMO-PYRIDIN-3-YL)-METHANONE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250828 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-015998
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1159976-89-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1159976-89-2 / bis(6-bromo-3-pyridinyl)methanone

Bis(6-bromopyridin-3-yl)methanone | Bis(6-bromo-3-pyridyl)methanone | MFCD06795896

Standard CAS: 1159976-89-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1159976-89-2
Multi CAS
No
Molecular Formula
C11H6Br2N2O
Molecular Weight
341.990000
Exact Mass
341.882640
SMILES
C1=CC(=NC=C1C(=O)C2=CN=C(C=C2)Br)Br
InChI
InChI=1S/C11H6Br2N2O/c12-9-3-1-7(5-14-9)11(16)8-2-4-10(13)15-6-8/h1-6H
InChIKey
VHTPZIBZNLGDKT-UHFFFAOYSA-N
Synonyms
Bis(6-bromopyridin-3-yl)methanone Bis(6-bromo-3-pyridyl)methanone MFCD06795896 C11H6Br2N2O SCHEMBL5973043

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
67.31
TPSA
42.85

LogP / Solubility

WLOGP
3.23
MLOGP
2.86
XLogP3
3.2
Consensus LogP
3.1
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.81
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us